![(E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/858/858741-94-3.png)
(E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 858741-94-3) is a chemical compound with molecular formula C22H22N4O6 and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 7,8-dimethoxy-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 7,8-dimethoxy-3-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C22H22N4O6 |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 2.803 |
| Topological Polar Surface Area | 109.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.15393 |
| Heavy Atoms | 32 |
| Complexity | 1363.9469 |
Chemical Identifiers
| CAS Number | 858741-94-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C=NC3=C(C2=O)NC4=CC(=C(C=C43)OC)OC |
Product Overview
(E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 858741-94-3), with molecular formula C22H22N4O6 and molecular weight 438.15 g/mol. IUPAC: 7,8-dimethoxy-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 109.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 858741-94-3.
What is the molecular formula of (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C22H22N4O6.
What is the molecular weight of (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 438.15 g/mol.
Where can I buy (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-7,8-dimethoxy-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.